SCHEMBL3667966

SCHEMBL3667966

COc1ccc(N2CCN(C=O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
AKR1C3 P42330 1/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
ADRB1 P08588 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 4/20 0.54
KMT2A Q03164 3/20 0.54
DRD2 P14416 1/20 0.54
RAB9A P51151 1/20 0.54
GAA P10253 2/20 0.52
ALDH1A1 P00352 3/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29656856 0.84 HTR3E (0.73) L3MBTL1AKR1C3HTR3EHTR3BADRB1
SCHEMBL28599511 0.84 HTR3E (0.73) L3MBTL1AKR1C3HTR3EHTR3BADRB1
SCHEMBL11435336 0.84 HTR3E (0.58) L3MBTL1AKR1C3HTR3EHTR3BADRB1
SCHEMBL20456231 0.83 L3MBTL1 (0.51) L3MBTL1AKR1C3HTR3EHTR3BADRB1
SCHEMBL28323351 0.81 MAPT (0.55) L3MBTL1LMNATSHRSMN1; SMN2MAPT
SCHEMBL2359935 0.81 ADRB1 (0.59) ADRB1SMN1; SMN2MAPTKMT2ADRD2
SCHEMBL29786218 0.81 ADRB1 (0.59) ADRB1SMN1; SMN2MAPTKMT2ADRD2
SCHEMBL6153220 0.81 ALDH1A1 (0.66) L3MBTL1HTR3EHTR3BADRB1HTR3A
SCHEMBL28522648 0.81 LTA4H (0.60) LMNATSHRSMN1; SMN2MAPTKMT2A
SCHEMBL22892260 0.80 FFAR4 (0.46) ADRB1LMNATSHRSMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110337293-A Therapeutic compound 新泽西鲁特格斯州立大学 2019-10-15 CN claimed
US-8288424-B2 Substituted tetrahydroimidazopyridine compounds and the use thereof in the treatment of pain and other conditions GRUENENTHAL GMBH (DE) 2012-10-16 US claimed
CN-115551850-A Small molecule inhibitors of galectin-3 百时美施贵宝公司 2022-12-30 CN disclosed
CN-111377846-B Piperazine benzamide derivative and application thereof 江苏恩华药业股份有限公司 2022-05-24 CN disclosed
CN-111377846-A Piperazine benzamide derivative and application thereof 江苏恩华药业股份有限公司 2020-07-07 CN disclosed
CN-110337293-A Therapeutic compound 新泽西鲁特格斯州立大学 2019-10-15 CN disclosed
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2016-02-04 US disclosed
CN-103983627-A Pyridopyrimidine compounds as anti-tubercular agents PASTEUR INSTITUT KOREA 2014-08-13 CN disclosed
EP-2146990-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-01-27 EP disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
WO-2008145839-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-12-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 L3MBTL1 515/4885AKR1C3 568/4885HTR3E 211/4885
US-20160031888-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER MAP3K19, MAP3K2, MAP3K3 L3MBTL1 747/4885AKR1C3 1163/4885HTR3E 732/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.